Design of dual-functional protic porous ionic liquids for boosting selective extractive desulfurization

IF 6 1区 工程技术 Q2 ENERGY & FUELS Petroleum Science Pub Date : 2024-08-01 DOI:10.1016/j.petsci.2024.05.001
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Abstract

Porous ionic liquids have demonstrated excellent performance in the field of separation, attributed to their high specific surface area and efficient mass transfer. Herein, task-specific protic porous ionic liquids (PPILs) were prepared by employing a novel one-step coupling neutralization reaction strategy for extractive desulfurization. The single-extraction efficiency of PPILs reached 75.0% for dibenzothiophene. Moreover, adding aromatic hydrocarbon interferents resulted in a slight decrease in the extraction efficiency of PPILs (from 45.2% to 37.3%, 37.9%, and 33.5%), indicating the excellent extraction selectivity of PPILs. The experimental measurements and density functional theory calculations reveal that the surface channels of porous structures can selectively capture dibenzothiophene by the stronger electrophilicity (Eint (HS surface channel/DBT) = −39.8 kcal mol−1), and the multiple extraction sites of ion pairs can effectively enrich and transport dibenzothiophene from the oil phase into PPILs through π···π, C–H···π and hydrogen bonds interactions. Furthermore, this straightforward synthetic strategy can be employed in preparing porous liquids, offering new possibilities for synthesizing PPILs with tailored functionalities.

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设计用于促进选择性萃取脱硫的双功能多孔离子液体
多孔离子液体具有高比表面积和高效传质的特点,在分离领域表现出卓越的性能。本文采用一种新型的一步耦合中和反应策略制备了用于萃取脱硫的特定任务原生多孔离子液体(PPILs)。PPILs 对二苯并噻吩的单次萃取效率达到 75.0%。此外,加入芳香烃干扰物后,PPILs 的萃取效率略有下降(从 45.2% 降至 37.3%、37.9% 和 33.5%),这表明 PPILs 具有优异的萃取选择性。实验测量和密度泛函理论计算表明,多孔结构的表面通道具有较强的亲电性(Eint (HS surface channel/DBT) = -39.8 kcal mol-1),可以选择性地捕获二苯并噻吩;离子对的多个萃取位点通过π--π、C-H--π和氢键相互作用,可以有效地将二苯并噻吩从油相富集并输送到PPILs中。此外,这种直接的合成策略可用于制备多孔液体,为合成具有定制功能的 PPIL 提供了新的可能性。
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来源期刊
Petroleum Science
Petroleum Science 地学-地球化学与地球物理
CiteScore
7.70
自引率
16.10%
发文量
311
审稿时长
63 days
期刊介绍: Petroleum Science is the only English journal in China on petroleum science and technology that is intended for professionals engaged in petroleum science research and technical applications all over the world, as well as the managerial personnel of oil companies. It covers petroleum geology, petroleum geophysics, petroleum engineering, petrochemistry & chemical engineering, petroleum mechanics, and economic management. It aims to introduce the latest results in oil industry research in China, promote cooperation in petroleum science research between China and the rest of the world, and build a bridge for scientific communication between China and the world.
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